N-(2-hydroxy-2-propylpentyl)-6-imidazol-1-ylpyridine-3-carboxamide

C17H24N4O2 — CID 111444790

IUPACN-(2-hydroxy-2-propylpentyl)-6-imidazol-1-ylpyridine-3-carboxamide
SMILESCCCC(O)(CCC)CNC(=O)c1ccc(-n2ccnc2)nc1
InChIInChI=1S/C17H24N4O2/c1-3-7-17(23,8-4-2)12-20-16(22)14-5-6-15(19-11-14)21-10-9-18-13-21/h5-6,9-11,13,23H,3-4,7-8,12H2,1-2H3,(H,20,22)
InChIKeyRGGQXMYSZJORHQ-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.33
Rot. Bonds8

About N-(2-hydroxy-2-propylpentyl)-6-imidazol-1-ylpyridine-3-carboxamide

N-(2-hydroxy-2-propylpentyl)-6-imidazol-1-ylpyridine-3-carboxamide (PubChem CID 111444790) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(2-hydroxy-2-propylpentyl)-6-imidazol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-propylpentyl)-6-imidazol-1-ylpyridine-3-carboxamide
PubChem CID111444790
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC NameN-(2-hydroxy-2-propylpentyl)-6-imidazol-1-ylpyridine-3-carboxamide
SMILESCCCC(O)(CCC)CNC(=O)c1ccc(-n2ccnc2)nc1
InChIInChI=1S/C17H24N4O2/c1-3-7-17(23,8-4-2)12-20-16(22)14-5-6-15(19-11-14)21-10-9-18-13-21/h5-6,9-11,13,23H,3-4,7-8,12H2,1-2H3,(H,20,22)
InChIKeyRGGQXMYSZJORHQ-UHFFFAOYSA-N
XLogP2.33
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152181
3-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427337
N-(2,2-difluoro-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 104862732
N-(2-hydroxy-2-propylpentyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 111444833
6-imidazol-1-yl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide
CID 23594782
ethane;6-imidazol-1-yl-N-methylpyridine-3-carboxamide
CID 142231779
N-(cyclopropylmethyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152532
3-[ethyl-(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid
CID 61006797
N-[(1-hydroxycycloheptyl)methyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 111428654
2-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid
CID 43355195
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 79246612
N-[(3-hydroxycyclopentyl)methyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 103279750

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-propylpentyl)-6-imidazol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-propylpentyl)-6-imidazol-1-ylpyridine-3-carboxamide (CID 111444790) is N-(2-hydroxy-2-propylpentyl)-6-imidazol-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-propylpentyl)-6-imidazol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-propylpentyl)-6-imidazol-1-ylpyridine-3-carboxamide is CCCC(O)(CCC)CNC(=O)c1ccc(-n2ccnc2)nc1.
What is the InChIKey of N-(2-hydroxy-2-propylpentyl)-6-imidazol-1-ylpyridine-3-carboxamide?
The InChIKey is RGGQXMYSZJORHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-3-7-17(23,8-4-2)12-20-16(22)14-5-6-15(19-11-14)21-10-9-18-13-21/h5-6,9-11,13,23H,3-4,7-8,12H2,1-2H3,(H,20,22).
What are the key properties of N-(2-hydroxy-2-propylpentyl)-6-imidazol-1-ylpyridine-3-carboxamide?
N-(2-hydroxy-2-propylpentyl)-6-imidazol-1-ylpyridine-3-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-propylpentyl)-6-imidazol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 111444790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).